SCHEMBL3634725

SCHEMBL3634725

COc1ccccc1NCc1c[nH]nc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3635679 0.90 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3637889 0.86 KMT2A (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3637447 0.86 KMT2A (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3638003 0.85 ADRA2C (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3636396 0.83 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3635672 0.83 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3639383 0.81 LMNA (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3633818 0.81 HDAC1 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3641222 0.81 HPGD (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AMEN1
SCHEMBL3633663 0.81 GAA (0.44) ALDH1A1MAPTMEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 SMN1; SMN2 1228/4885ALDH1A1 3335/4885MAPT 572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.